2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

C12H19F3N6 — CID 17449509

IUPAC2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H19F3N6/c1-20(2)11-18-9(17-10(16)19-11)7-21-5-3-4-8(6-21)12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyFBOQEINEQINGOS-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.29
Rot. Bonds3

About 2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 17449509) has the molecular formula C12H19F3N6 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID17449509
Molecular FormulaC12H19F3N6
Molecular Weight304.32 g/mol
Exact Mass304.16
IUPAC Name2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H19F3N6/c1-20(2)11-18-9(17-10(16)19-11)7-21-5-3-4-8(6-21)12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyFBOQEINEQINGOS-UHFFFAOYSA-N
XLogP1.29
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 17449509) is 2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CN2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FBOQEINEQINGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N6/c1-20(2)11-18-9(17-10(16)19-11)7-21-5-3-4-8(6-21)12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 304.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17449509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).